2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile

C16H18N4 — CID 65420095

IUPAC2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile
SMILESCN1CCN(C(C#N)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H18N4/c1-19-7-9-20(10-8-19)16(12-17)14-4-5-15-13(11-14)3-2-6-18-15/h2-6,11,16H,7-10H2,1H3
InChIKeyYYYPSNUBMJFKSC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.05
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile

2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile (PubChem CID 65420095) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile
PubChem CID65420095
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile
SMILESCN1CCN(C(C#N)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H18N4/c1-19-7-9-20(10-8-19)16(12-17)14-4-5-15-13(11-14)3-2-6-18-15/h2-6,11,16H,7-10H2,1H3
InChIKeyYYYPSNUBMJFKSC-UHFFFAOYSA-N
XLogP2.05
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-2-quinolin-6-ylethanamine
CID 63968294
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 51675076
2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
2-(3-bromo-4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 112540214
(1,4-dimethylpiperazin-2-yl)-quinolin-6-ylmethanamine
CID 81231152
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-naphthalen-2-yl-2-pyrrolidin-1-ylacetonitrile
CID 43802813
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 81229525

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile (CID 65420095) is 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile is CN1CCN(C(C#N)c2ccc3ncccc3c2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile?
The InChIKey is YYYPSNUBMJFKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19-7-9-20(10-8-19)16(12-17)14-4-5-15-13(11-14)3-2-6-18-15/h2-6,11,16H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile?
2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile is sourced from PubChem (CID 65420095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).